ACCESSION: MSBNK-Keio_Univ-KO002040
RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A007

CH$NAME: Adenosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₅O₄
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
CH$IUPAC: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
CH$LINK: CAS 58-61-7
CH$LINK: CHEBI 16335
CH$LINK: CHEMPDB ADN
CH$LINK: KEGG C00212
CH$LINK: NIKKAJI J4.501B
CH$LINK: PUBCHEM CID:60961
CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N
CH$LINK: COMPTOX DTXSID1022558

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 268
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-f0313435db4847490fd6
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  40.800 14851.5 1
  43.200 99010.0 1
  44.800 24752.5 1
  55.000 376238.0 3
  57.200 896040.5 7
  59.100 544555.0 4
  61.000 178218.0 1
  69.100 504951.0 4
  71.100 198020.0 2
  72.900 955446.5 8
  73.900 1014852.5 8
  76.800 24752.5 1
  85.000 1282179.5 10
  86.800 282178.5 2
  89.900 14851.5 1
  93.300 44554.5 1
  94.200 54455.5 1
  94.400 19802.0 1
  97.100 584159.0 5
  103.000 247525.0 2
  106.900 59406.0 1
  115.200 613862.0 5
  119.100 341584.5 3
  120.300 89109.0 1
  121.000 1029704.0 8
  133.000 435644.0 3
  136.100 126128839.0 999
  136.900 79208.0 1
  138.000 702971.0 6
  148.900 54455.5 1
  150.300 34653.5 1
  154.100 9901.0 1
  161.000 29703.0 1
  163.400 39604.0 1
  177.100 64356.5 1
  178.300 133663.5 1
  195.100 59406.0 1
  202.600 29703.0 1
  208.000 34653.5 1
  268.100 326733.0 3
//